Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "969cd39826797e5b619d169d5797f1f7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 191.332,
"b": 87.842,
"c": 56.810,
"alpha": 90.00,
"beta": 99.79,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.270,2.030],
"number_observations": 173101,
"number_observations_unique": 57277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 12831,
"number_observations_unique": 4233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 1.049
},
{
"type": "R(pim)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [94.270,9.080],
"number_observations": 2098,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}